[4-(phenylcarbamoyl)phenyl]methyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylthio)acetic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)acetic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C26H19N3O4S MolecularWeight: 469.51176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)COC(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)COC(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54

InChI

InChI=1S/C26H19N3O4S/c30-22(15-34-26-24-23(27-16-28-26)20-8-4-5-9-21(20)33-24)32-14-17-10-12-18(13-11-17)25(31)29-19-6-2-1-3-7-19/h1-13,16H,14-15H2,(H,29,31)